N'-[(2-ethoxy-4-pyridinyl)methyl]-N,2-diethylthiomorpholine-4-carboximidamide

C17H28N4OS — CID 109485396

IUPACN'-[(2-ethoxy-4-pyridinyl)methyl]-N,2-diethylthiomorpholine-4-carboximidamide
SMILESCCN/C(=N\Cc1ccnc(OCC)c1)N1CCSC(CC)C1
InChIInChI=1S/C17H28N4OS/c1-4-15-13-21(9-10-23-15)17(18-5-2)20-12-14-7-8-19-16(11-14)22-6-3/h7-8,11,15H,4-6,9-10,12-13H2,1-3H3,(H,18,20)
InChIKeyFUQNTKYQZHZRQD-UHFFFAOYSA-N
MW336.50 g/mol
LogP2.77
Rot. Bonds6

About N'-[(2-ethoxy-4-pyridinyl)methyl]-N,2-diethylthiomorpholine-4-carboximidamide

N'-[(2-ethoxy-4-pyridinyl)methyl]-N,2-diethylthiomorpholine-4-carboximidamide (PubChem CID 109485396) has the molecular formula C17H28N4OS and a molecular weight of 336.50 g/mol. Its IUPAC name is N'-[(2-ethoxy-4-pyridinyl)methyl]-N,2-diethylthiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[(2-ethoxy-4-pyridinyl)methyl]-N,2-diethylthiomorpholine-4-carboximidamide
PubChem CID109485396
Molecular FormulaC17H28N4OS
Molecular Weight336.50 g/mol
Exact Mass336.20
IUPAC NameN'-[(2-ethoxy-4-pyridinyl)methyl]-N,2-diethylthiomorpholine-4-carboximidamide
SMILESCCN/C(=N\Cc1ccnc(OCC)c1)N1CCSC(CC)C1
InChIInChI=1S/C17H28N4OS/c1-4-15-13-21(9-10-23-15)17(18-5-2)20-12-14-7-8-19-16(11-14)22-6-3/h7-8,11,15H,4-6,9-10,12-13H2,1-3H3,(H,18,20)
InChIKeyFUQNTKYQZHZRQD-UHFFFAOYSA-N
XLogP2.77
TPSA49.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.50
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N,2-diethyl-N'-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109486433
N'-benzyl-N,2-diethylthiomorpholine-4-carboximidamide
CID 109486214
N,2-diethyl-N'-[[4-(2-methoxyethoxy)phenyl]methyl]thiomorpholine-4-carboximidamide
CID 109487128
N,2-diethyl-N'-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109486077
N'-[[4-(2,5-dihydropyrrol-1-yl)phenyl]methyl]-N,2-diethylthiomorpholine-4-carboximidamide
CID 109486056
N,2-diethyl-N'-[(2-methylpyrazol-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109485519
(3R)-N-ethyl-3-hydroxy-N'-[(2-methoxy-4-pyridinyl)methyl]pyrrolidine-1-carboximidamide
CID 111550452
4-[[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]methyl]benzamide;hydroiodide
CID 109485533
N,2-diethyl-N'-[(4-morpholin-4-ylphenyl)methyl]thiomorpholine-4-carboximidamide
CID 109484666
N,2-diethyl-N'-(thiophen-2-ylmethyl)thiomorpholine-4-carboximidamide
CID 109485860
N,2-diethyl-N'-(furan-2-ylmethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 109486841
N'-[[4-(dimethylsulfamoyl)phenyl]methyl]-N,2-diethylthiomorpholine-4-carboximidamide
CID 109484608

Frequently Asked Questions

What is the IUPAC name of N'-[(2-ethoxy-4-pyridinyl)methyl]-N,2-diethylthiomorpholine-4-carboximidamide?
The IUPAC name of N'-[(2-ethoxy-4-pyridinyl)methyl]-N,2-diethylthiomorpholine-4-carboximidamide (CID 109485396) is N'-[(2-ethoxy-4-pyridinyl)methyl]-N,2-diethylthiomorpholine-4-carboximidamide.
What is the SMILES notation for N'-[(2-ethoxy-4-pyridinyl)methyl]-N,2-diethylthiomorpholine-4-carboximidamide?
The canonical SMILES for N'-[(2-ethoxy-4-pyridinyl)methyl]-N,2-diethylthiomorpholine-4-carboximidamide is CCN/C(=N\Cc1ccnc(OCC)c1)N1CCSC(CC)C1.
What is the InChIKey of N'-[(2-ethoxy-4-pyridinyl)methyl]-N,2-diethylthiomorpholine-4-carboximidamide?
The InChIKey is FUQNTKYQZHZRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4OS/c1-4-15-13-21(9-10-23-15)17(18-5-2)20-12-14-7-8-19-16(11-14)22-6-3/h7-8,11,15H,4-6,9-10,12-13H2,1-3H3,(H,18,20).
What are the key properties of N'-[(2-ethoxy-4-pyridinyl)methyl]-N,2-diethylthiomorpholine-4-carboximidamide?
N'-[(2-ethoxy-4-pyridinyl)methyl]-N,2-diethylthiomorpholine-4-carboximidamide has a molecular weight of 336.50 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-ethoxy-4-pyridinyl)methyl]-N,2-diethylthiomorpholine-4-carboximidamide is sourced from PubChem (CID 109485396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).